HRID1553920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID319670

2-Aminocyclohexane-1,3-diol

C6H13NO2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：O=C(O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1

HCID11279734

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1C(O)CCCC1O)C(CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1

HCID178522454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-613c28fa94b04c8dad452bb019daf652
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH:10]([N:11]([CH:12]([CH3:13])[CH3:14])[CH2:15][CH3:16])([CH3:17])[CH3:18].[NH2:1][CH:2]1[CH:3]([OH:9])[CH2:4][CH2:5][CH2:6][CH:7]1[OH:8].[O:19]1[CH2:20][CH2:21][N:22]([C:25](=[O:26])[NH:27][CH:28]([C:29](=[O:30])[OH:31])[CH2:32][S:33](=[O:34])(=[O:35])[CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:23][CH2:24]1.[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[NH:1]([CH:2]1[CH:3]([OH:9])[CH2:4][CH2:5][CH2:6][CH:7]1[OH:8])[C:29]([CH:28]([NH:27][C:25]([N:22]1[CH2:21][CH2:20][O:19][CH2:24][CH2:23]1)=[O:26])[CH2:32][S:33](=[O:34])(=[O:35])[CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)=[O:30]